1-methoxypentan-3-amine

• ChemBase ID: 236586
• Molecular Formular: C6H15NO
• Molecular Mass: 117.1894
• Monoisotopic Mass: 117.11536411
• SMILES: NC(CCOC)CC
• Canonical SMILES: COCCC(CC)N
• InChI: InChI=1S/C6H15NO/c1-3-6(7)4-5-8-2/h6H,3-5,7H2,1-2H3
• InChIKey: CDILNRQXLHFPSL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methoxypentan-3-amine
• IUPAC Traditional name: 1-methoxypentan-3-amine
• Synonyms: 1-methoxypentan-3-amine

Database IDs

• MDL Number: MFCD08450862
• PubChem SID: 164292496
• PubChem CID: 19775755

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.7005727
• LogD (pH = 7.4): -2.3864684
• Log P: 0.32662278
• Molar Refractivity: 34.7705 cm^3
• Polarizability: 14.000582 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.633

Product Information

• Purity: 95%